Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HINT1 | P49773 | 2/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.41 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | NT5E | P21589 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8529436 | 0.96 | ALDH1A1 (0.48) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8533171 | 0.88 | HINT1 (0.40) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8529887 | 0.88 | HINT1 (0.40) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8527967 | 0.88 | ALDH1A1 (0.66) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8533343 | 0.87 | HINT1 (0.40) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8529274 | 0.86 | ALDH1A1 (0.53) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8988189 | 0.86 | HINT1 (0.38) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8530371 | 0.85 | HINT1 (0.40) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8530537 | 0.85 | P2RX3 (0.46) | ALDH1A1LMNATP53MAPTTDP1 | |
| SCHEMBL8530375 | 0.85 | P2RX3 (0.46) | ALDH1A1LMNATP53MAPTTDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821236-A | Tumor treatment with arabinofuranosyl purine derivatives | GLAXO WELLCOME INC. (US) | 1998-10-13 | — | — | US | disclosed |
| US-5747472-A | ANTICARCINOGENIC AGENTS AND ANTITUMOR AGENTS | GLAXO WELLCOME INC. (US) | 1998-05-05 | — | — | US | disclosed |
| EP-0539479-B1 | HETEROCYCLIC COMPOUNDS | WELLCOME FOUND (GB) | 1997-04-16 | — | — | EP | disclosed |
| WO-1992001456-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-02-06 | — | — | WO | disclosed |